1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one

C12H16N2O2 — CID 116624684

IUPAC1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2ccc(C)o2)c1=O
InChIInChI=1S/C12H16N2O2/c1-3-6-13-7-8-14(12(13)15)9-11-5-4-10(2)16-11/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyGZSLUCKDSHGCJW-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.01
Rot. Bonds4

About 1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one

1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one (PubChem CID 116624684) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one
PubChem CID116624684
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2ccc(C)o2)c1=O
InChIInChI=1S/C12H16N2O2/c1-3-6-13-7-8-14(12(13)15)9-11-5-4-10(2)16-11/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyGZSLUCKDSHGCJW-UHFFFAOYSA-N
XLogP2.01
TPSA40.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one (CID 116624684) is 1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2ccc(C)o2)c1=O.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one?
The InChIKey is GZSLUCKDSHGCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-6-13-7-8-14(12(13)15)9-11-5-4-10(2)16-11/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one?
1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 116624684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).